Chemical Properties of 2,3,5,6-Tetrafluoroaniline (CAS 700-17-4)

2,3,5,6-Tetrafluoroaniline

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InChI
InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChI Key
SPSWJTZNOXMMMV-UHFFFAOYSA-N
Formula
C6H3F4N
SMILES
Nc1c(F)c(F)cc(F)c1F
Molecular Weight1
165.09
CAS
700-17-4
Other Names
  • 1-Amino-2,3,5,6-tetrafluorobenzene
  • 2,3,5,6-Tetrafluoraniline
  • Aniline, 2,3,5,6-tetrafluoro-
  • Benzenamine, 2,3,5,6-tetrafluoro-
Sources

Physical Properties

Property Value Unit Source
Δf -639.26 kJ/mol Joback Calculated Property
Δfgas -727.17 kJ/mol Joback Calculated Property
Δfus 21.30 kJ/mol Joback Calculated Property
Δvap 41.25 kJ/mol Joback Calculated Property
IE 8.90 eV NIST
logPoct/wat 1.83 Crippen Calculated Property
Pc 3690.97 kPa Joback Calculated Property
Tboil 431.00 K NIST
Tboil 431.20 K NIST
Tc 642.23 K Joback Calculated Property
Tfus 319.50 K Joback Calculated Property
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 183.33 J/mol×K 452.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-F 4
=CH- (ring) 1
-NH2 1

Similar Compounds

2,3,6-Trifluoroaniline. Benzenamine, 2,3,4,6-tetrafluoro-. Benzenamine, 2,3,4,5,6-pentafluoro-. Benzenamine, 2,3,4,5-tetrafluoro-. 2,4,5-Trifluoroaniline. 2,3,4-Trifluoroaniline. 2,3-Difluoroaniline. Benzenamine, 2,5-difluoro-. 2,6-Difluoroaniline. 2,4,6-Trifluoroaniline. (Pentafluorophenyl)hydrazine. 3,5-Difluoroaniline. 2,3,5,6-Tetrafluorophenyl isothiocyanate. 2,4-Difluoroaniline. 3,4-Difluoroaniline.

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